DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL5760702_dpp4

Atoms: 198
Models: 9
Best Energy: -8.086 kcal/mol

Binding Energies:
  • Pose 1: -8.086 kcal/mol
  • Pose 2: -8.039 kcal/mol
  • Pose 3: -7.681 kcal/mol
  • Pose 4: -7.358 kcal/mol
  • Pose 5: -7.329 kcal/mol
  • Pose 6: -7.329 kcal/mol
  • Pose 7: -7.3 kcal/mol
  • Pose 8: -7.246 kcal/mol
  • Pose 9: -7.164 kcal/mol
CHEMBL5760702_dpp4
Energy Plot
RMSD Scatter Plot